1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione

C25H25N3O4 — CID 10224688

IUPAC1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione
SMILESCN(C)CCN1C(=O)CCC(N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C1=O
InChIInChI=1S/C25H25N3O4/c1-26(2)15-16-27-20(29)14-13-19(23(27)30)28-24(31)21(17-9-5-3-6-10-17)22(25(28)32)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyAOPUCXJOQDSGGJ-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.05
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione

1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione (PubChem CID 10224688) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione
PubChem CID10224688
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione
SMILESCN(C)CCN1C(=O)CCC(N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C1=O
InChIInChI=1S/C25H25N3O4/c1-26(2)15-16-27-20(29)14-13-19(23(27)30)28-24(31)21(17-9-5-3-6-10-17)22(25(28)32)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyAOPUCXJOQDSGGJ-UHFFFAOYSA-N
XLogP2.05
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
1-Cyclohexyl-4-(4-phenylbutanoyl)piperazine
CID 2970858
1-(2,3-Diphenylacryloyl)piperidine
CID 1208524
6-Benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione
CID 127049852
9-Cyclohexyl-6-(4-methylbenzoyl)-6,9-diazaspiro[4.5]decane-8,10-dione
CID 127049853
1-Benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione
CID 127050149
diphenylalazine A
CID 44614255
Cordiarimide A
CID 46831112
1-Cyclopentyl-4-(phenylacetyl)piperazine
CID 828796
(2E)-1-(4-methylpiperazin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 890395
1-(2,3-Diphenylacryloyl)-4-methylpiperazine
CID 1956898
1-Cycloheptyl-3-(4-fluorophenyl)-4-(2-phenylethyl)piperazine-2,5-dione
CID 3292138

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione (CID 10224688) is 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione is CN(C)CCN1C(=O)CCC(N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione?
The InChIKey is AOPUCXJOQDSGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-26(2)15-16-27-20(29)14-13-19(23(27)30)28-24(31)21(17-9-5-3-6-10-17)22(25(28)32)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione?
1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione has a molecular weight of 431.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 10224688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).